(4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one

C38H65NO5Si — CID 42639033

About (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one

(4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one (PubChem CID 42639033) has the molecular formula C38H65NO5Si and a molecular weight of 644.03 g/mol. Its IUPAC name is (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one
• PubChem CID: 42639033
• Molecular Formula: C38H65NO5Si
• Molecular Weight: 644.03 g/mol
• Exact Mass: 643.46
• IUPAC Name: (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one
• SMILES: C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1[C@@H](O[C@H](C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC(=O)N1CC(=C)OCOC
• InChI: InChI=1S/C38H65NO5Si/c1-17-34(44-45(26(8)9,27(10)11)28(12)13)38-35(20-36(40)39(38)21-29(14)42-22-41-16)43-30(15)37-32(24(4)5)18-31(23(2)3)19-33(37)25(6)7/h17-19,23-28,30,34-35,38H,1,14,20-22H2,2-13,15-16H3/t30-,34+,35+,38+/m1/s1
• InChIKey: IGAUADBGLPTTPQ-WWCJHDMTSA-N
• XLogP: 9.98
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.03
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

The IUPAC name of (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one (CID 42639033) is (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one.

What is the SMILES notation for (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

The canonical SMILES for (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one is C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1[C@@H](O[C@H](C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC(=O)N1CC(=C)OCOC.

What is the InChIKey of (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

The InChIKey is IGAUADBGLPTTPQ-WWCJHDMTSA-N. The full InChI is InChI=1S/C38H65NO5Si/c1-17-34(44-45(26(8)9,27(10)11)28(12)13)38-35(20-36(40)39(38)21-29(14)42-22-41-16)43-30(15)37-32(24(4)5)18-31(23(2)3)19-33(37)25(6)7/h17-19,23-28,30,34-35,38H,1,14,20-22H2,2-13,15-16H3/t30-,34+,35+,38+/m1/s1.

What are the key properties of (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one?

(4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one has a molecular weight of 644.03 g/mol, XLogP of 9.98, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-1-[2-(methoxymethoxy)prop-2-enyl]-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 42639033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).